Information card for entry 4324462

Structure parameters

• Formula: C33 H46 B P
• Calculated formula: C33 H46 B P
• SMILES: P(Cc1c(cccc1)B(c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes
• Authors of publication: Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1470 - 1479
• a: 10.7842 ± 0.0005 Å
• b: 15.395 ± 0.0006 Å
• c: 17.7979 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2954.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No